2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione

C10H18N4O2 — CID 43410498

IUPAC2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-6(2)7(3)11-8-9(15)13(4)10(16)14(5)12-8/h6-7H,1-5H3,(H,11,12)
InChIKeyAGANNTGVDCDBRB-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.06
Rot. Bonds3

About 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione (PubChem CID 43410498) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione
PubChem CID43410498
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione
SMILESCC(C)C(C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H18N4O2/c1-6(2)7(3)11-8-9(15)13(4)10(16)14(5)12-8/h6-7H,1-5H3,(H,11,12)
InChIKeyAGANNTGVDCDBRB-UHFFFAOYSA-N
XLogP-0.06
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione (CID 43410498) is 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione is CC(C)C(C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is AGANNTGVDCDBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(2)7(3)11-8-9(15)13(4)10(16)14(5)12-8/h6-7H,1-5H3,(H,11,12).
What are the key properties of 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(3-methylbutan-2-ylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).